1-[(2-methylpyrazol-3-yl)methyl]-3-(6-methyl-2-pyridinyl)urea

C12H15N5O — CID 75507942

IUPAC1-[(2-methylpyrazol-3-yl)methyl]-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)NCc2ccnn2C)n1
InChIInChI=1S/C12H15N5O/c1-9-4-3-5-11(15-9)16-12(18)13-8-10-6-7-14-17(10)2/h3-7H,8H2,1-2H3,(H2,13,15,16,18)
InChIKeyUPKBZMRHPOMANN-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.45
Rot. Bonds3

About 1-[(2-methylpyrazol-3-yl)methyl]-3-(6-methyl-2-pyridinyl)urea

1-[(2-methylpyrazol-3-yl)methyl]-3-(6-methyl-2-pyridinyl)urea (PubChem CID 75507942) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-[(2-methylpyrazol-3-yl)methyl]-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2-methylpyrazol-3-yl)methyl]-3-(6-methyl-2-pyridinyl)urea
PubChem CID75507942
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1-[(2-methylpyrazol-3-yl)methyl]-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)NCc2ccnn2C)n1
InChIInChI=1S/C12H15N5O/c1-9-4-3-5-11(15-9)16-12(18)13-8-10-6-7-14-17(10)2/h3-7H,8H2,1-2H3,(H2,13,15,16,18)
InChIKeyUPKBZMRHPOMANN-UHFFFAOYSA-N
XLogP1.45
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea
CID 75523319
3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]benzoic acid
CID 63303109
2-hydroxy-3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]benzoic acid
CID 104833703
2-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]pyrazole-3-carboxamide
CID 91945754
1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 131154196
1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea
CID 75507990
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
6-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 63303779
1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(6-methyl-2-pyridinyl)urea
CID 75507984
1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea
CID 934768
1-(1,2-benzoxazol-3-ylmethyl)-3-(6-methyl-2-pyridinyl)urea
CID 46274745
3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 63303802

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpyrazol-3-yl)methyl]-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[(2-methylpyrazol-3-yl)methyl]-3-(6-methyl-2-pyridinyl)urea (CID 75507942) is 1-[(2-methylpyrazol-3-yl)methyl]-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[(2-methylpyrazol-3-yl)methyl]-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[(2-methylpyrazol-3-yl)methyl]-3-(6-methyl-2-pyridinyl)urea is Cc1cccc(NC(=O)NCc2ccnn2C)n1.
What is the InChIKey of 1-[(2-methylpyrazol-3-yl)methyl]-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is UPKBZMRHPOMANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-9-4-3-5-11(15-9)16-12(18)13-8-10-6-7-14-17(10)2/h3-7H,8H2,1-2H3,(H2,13,15,16,18).
What are the key properties of 1-[(2-methylpyrazol-3-yl)methyl]-3-(6-methyl-2-pyridinyl)urea?
1-[(2-methylpyrazol-3-yl)methyl]-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 245.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpyrazol-3-yl)methyl]-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 75507942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).